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Home> Hot Product Listed 1   > 1H-Pyrrole-2-carboxylicacid,1-methylpropylester(9CI)
3292-77-1 structure

1H-Pyrrole-2-carboxylicacid,1-methylpropylester(9CI)

Iupac Name:2-bromo-1-(1,3-thiazol-2-yl)ethanone
CAS No.:3292-77-1
Molecular Weight:206.057
Molecular Formula:C8H11NO3 (isomer)
Names and Identifiers
Synonyms

1h-pyrrole-2-carboxylic acid, 1-methylpropyl ester (9ci) 1h-pyrrole-2-carboxylic acid,1-methylpropyl ester 1h-pyrrole-2-carboxylicacid,1-methylpropylester AK457177 AKOS027412411 HE153764 sec-butyl 1h-pyrrole-2-carboxylate

Inchi
InChI=1S/C5H4BrNOS/c6-3-4(8)5-7-1-2-9-5/h1-2H,3H2
InChkey
AQRFTRDAOYSMEA-UHFFFAOYSA-N
Canonical Smiles
C1=CSC(=N1)C(=O)CBr
Properties
Melting Point
54-55℃
Refractive Index
1.61
Safety and Handling
Risk Statements
R34
Safety Statements
S22;S26;S36/37/39;S45
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin corrosion, Category 1B

Serious eye damage, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H314 Causes severe skin burns and eye damage

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P363 Wash contaminated clothing before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P310 Immediately call a POISON CENTER/doctor/\u2026

P321 Specific treatment (see ... on this label).

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:206.057g/mol
  • Molecular Formula:C8H11NO3
  • Compound Is Canonicalized:True
  • Exact Mass:204.92
  • Monoisotopic Mass:204.92
  • Complexity:120
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:58.2A^2
  • Heavy Atom Count:9
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBiIABAEAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHgRAAAABSATFwgSsgRIIEAis AJA3RAAA8KBTCjhIQAy4ICAgAAAgACAEAAAAAACgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:+44-(0)-1928 710 200
  • Fax:+44-(0)-1928 710 225
  • Tel:+86-21-51082627 62334856 62334915
  • Fax:+86-21-62334855
 
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